CID 3025320

102446-20-8

Structural Information

Molecular Formula

C₂₁H₂₆ClNO

SMILES

CC(C)CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClNO/c1-16(2)14-23-13-12-20(15-23)24-21(17-6-4-3-5-7-17)18-8-10-19(22)11-9-18/h3-11,16,20-21H,12-15H2,1-2H3

InChIKey

LLFLRARDKKINCB-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)-phenylmethoxy]-1-(2-methylpropyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 343.1703 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	344.177576	185.0
[M+Na]+	366.159518	189.6
[M-H]-	342.163024	192.1
[M+NH4]+	361.204123	199.0
[M+K]+	382.133458	183.6
[M+H-H2O]+	326.167560	175.8
[M+HCOO]-	388.168501	198.4
[M+CH3COO]-	402.184151	211.4
[M+Na-2H]-	364.144966	182.5
[M]+	343.16975142	185.4
[M]-	343.17084858	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe